2-methoxyethyl(methyl)carbamic acid

C5H11NO3 — CID 57372024

IUPAC2-methoxyethyl(methyl)carbamic acid
SMILESCOCCN(C)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6(5(7)8)3-4-9-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyWDLVTVQXNFUMOU-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.24
Rot. Bonds3

About 2-methoxyethyl(methyl)carbamic acid

2-methoxyethyl(methyl)carbamic acid (PubChem CID 57372024) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-methoxyethyl(methyl)carbamic acid.

Molecular Properties

Compound Name2-methoxyethyl(methyl)carbamic acid
PubChem CID57372024
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-methoxyethyl(methyl)carbamic acid
SMILESCOCCN(C)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6(5(7)8)3-4-9-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyWDLVTVQXNFUMOU-UHFFFAOYSA-N
XLogP0.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(methyl)carbamic acid?
The IUPAC name of 2-methoxyethyl(methyl)carbamic acid (CID 57372024) is 2-methoxyethyl(methyl)carbamic acid.
What is the SMILES notation for 2-methoxyethyl(methyl)carbamic acid?
The canonical SMILES for 2-methoxyethyl(methyl)carbamic acid is COCCN(C)C(=O)O.
What is the InChIKey of 2-methoxyethyl(methyl)carbamic acid?
The InChIKey is WDLVTVQXNFUMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6(5(7)8)3-4-9-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-methoxyethyl(methyl)carbamic acid?
2-methoxyethyl(methyl)carbamic acid has a molecular weight of 133.15 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(methyl)carbamic acid is sourced from PubChem (CID 57372024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).